HRID114981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID21097526

N-[4-(Aminomethyl)-2-fluorophenyl]methanesulfonamide

C8H11FN2O2S

结构：O=C(O)C=Cc1ccc(C(F)(F)F)nc1OCc1ccccc1

HCID68783447

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1ccc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2OCc2ccccc2)cc1F

HCID68811695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad3d23ad0f9749829fbeee886e8e18e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[O:23][c:24]1[n:25][c:26]([C:35]([F:36])([F:37])[F:38])[cH:27][cH:28][c:29]1[CH:30]=[CH:31][C:32](=[O:33])[OH:34].[ClH:15].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([F:14])[c:6]([NH:9][S:10](=[O:11])(=[O:12])[CH3:13])[cH:7][cH:8]1>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([F:14])[c:6]([NH:9][S:10](=[O:11])(=[O:12])[CH3:13])[cH:7][cH:8]1)[C:32]([CH:31]=[CH:30][c:29]1[c:24]([O:23][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[n:25][c:26]([C:35]([F:36])([F:37])[F:38])[cH:27][cH:28]1)=[O:33]